N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide

C10H19N5OS — CID 13208273

IUPACN-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCc1nnnn1C(C)C
InChIInChI=1S/C10H19N5OS/c1-4-11-10(16)5-6-17-7-9-12-13-14-15(9)8(2)3/h8H,4-7H2,1-3H3,(H,11,16)
InChIKeyRLTPIZBWRFCZDJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.01
Rot. Bonds7

About N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide

N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 13208273) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID13208273
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCc1nnnn1C(C)C
InChIInChI=1S/C10H19N5OS/c1-4-11-10(16)5-6-17-7-9-12-13-14-15(9)8(2)3/h8H,4-7H2,1-3H3,(H,11,16)
InChIKeyRLTPIZBWRFCZDJ-UHFFFAOYSA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide (CID 13208273) is N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide is CCNC(=O)CCSCc1nnnn1C(C)C.
What is the InChIKey of N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is RLTPIZBWRFCZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-11-10(16)5-6-17-7-9-12-13-14-15(9)8(2)3/h8H,4-7H2,1-3H3,(H,11,16).
What are the key properties of N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide?
N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 257.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 13208273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).